1-chloro-3,3,4-trifluorocyclobutene

C4H2ClF3 — CID 45075642

IUPAC1-chloro-3,3,4-trifluorocyclobutene
SMILESFC1C(Cl)=CC1(F)F
InChIInChI=1S/C4H2ClF3/c5-2-1-4(7,8)3(2)6/h1,3H
InChIKeyBBLHJPJOOWFVKM-UHFFFAOYSA-N
MW142.51 g/mol
LogP2.10
Rot. Bonds

About 1-chloro-3,3,4-trifluorocyclobutene

1-chloro-3,3,4-trifluorocyclobutene (PubChem CID 45075642) has the molecular formula C4H2ClF3 and a molecular weight of 142.51 g/mol. Its IUPAC name is 1-chloro-3,3,4-trifluorocyclobutene.

Molecular Properties

Compound Name1-chloro-3,3,4-trifluorocyclobutene
PubChem CID45075642
Molecular FormulaC4H2ClF3
Molecular Weight142.51 g/mol
Exact Mass141.98
IUPAC Name1-chloro-3,3,4-trifluorocyclobutene
SMILESFC1C(Cl)=CC1(F)F
InChIInChI=1S/C4H2ClF3/c5-2-1-4(7,8)3(2)6/h1,3H
InChIKeyBBLHJPJOOWFVKM-UHFFFAOYSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.51
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,3,4-trifluorocyclobutene?
The IUPAC name of 1-chloro-3,3,4-trifluorocyclobutene (CID 45075642) is 1-chloro-3,3,4-trifluorocyclobutene.
What is the SMILES notation for 1-chloro-3,3,4-trifluorocyclobutene?
The canonical SMILES for 1-chloro-3,3,4-trifluorocyclobutene is FC1C(Cl)=CC1(F)F.
What is the InChIKey of 1-chloro-3,3,4-trifluorocyclobutene?
The InChIKey is BBLHJPJOOWFVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClF3/c5-2-1-4(7,8)3(2)6/h1,3H.
What are the key properties of 1-chloro-3,3,4-trifluorocyclobutene?
1-chloro-3,3,4-trifluorocyclobutene has a molecular weight of 142.51 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,3,4-trifluorocyclobutene is sourced from PubChem (CID 45075642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).